PARTICLE BOMBARDMENT AS VIEWED BY MOLECULAR DYNAMICS.

Barbara J. Garrison

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A classical dynamics model is used to investigate nuclear motion in solids due to bombardment by energetic atoms and ions. Of interest are the mechanisms of ejection and cluster formation both of elemental species such as Ni//n and Ar//n and molecular species where we have predicted intact ejection of benzene-C//6H//6, pyridine-C//5H//5N, napthalene-C//1//0H//8, biphenyl-C//1//2H//1//0 and coronene-C//2//4H//1//2. The results presented here show that the energy distributions of the parent molecular species, e. g. benzene, are narrower than those of atomic species, even though the ejection processes in both cases arise from energetic nuclear collisions. The bonding geometry also influences the ejection yield and angular distribution. The specific case of pi -bonded and sigma -bonded pyridine on a metal surface is discussed with comparisons between the calculated results and experimental data.

Original languageEnglish (US)
Title of host publicationACS Symposium Series
EditorsPhilip A. Lyon
PublisherACS
Pages43-55
Number of pages13
ISBN (Print)0841209421
StatePublished - Dec 1 1985

Publication series

NameACS Symposium Series
ISSN (Print)0097-6156

Fingerprint

Benzene
Molecular dynamics
Angular distribution
Dynamic models
Metals
Ions
Atoms
Geometry
pyridine
diphenyl
coronene

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)

Cite this

Garrison, B. J. (1985). PARTICLE BOMBARDMENT AS VIEWED BY MOLECULAR DYNAMICS. In P. A. Lyon (Ed.), ACS Symposium Series (pp. 43-55). (ACS Symposium Series). ACS.
Garrison, Barbara J. / PARTICLE BOMBARDMENT AS VIEWED BY MOLECULAR DYNAMICS. ACS Symposium Series. editor / Philip A. Lyon. ACS, 1985. pp. 43-55 (ACS Symposium Series).
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Garrison, BJ 1985, PARTICLE BOMBARDMENT AS VIEWED BY MOLECULAR DYNAMICS. in PA Lyon (ed.), ACS Symposium Series. ACS Symposium Series, ACS, pp. 43-55.

PARTICLE BOMBARDMENT AS VIEWED BY MOLECULAR DYNAMICS. / Garrison, Barbara J.

ACS Symposium Series. ed. / Philip A. Lyon. ACS, 1985. p. 43-55 (ACS Symposium Series).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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AB - A classical dynamics model is used to investigate nuclear motion in solids due to bombardment by energetic atoms and ions. Of interest are the mechanisms of ejection and cluster formation both of elemental species such as Ni//n and Ar//n and molecular species where we have predicted intact ejection of benzene-C//6H//6, pyridine-C//5H//5N, napthalene-C//1//0H//8, biphenyl-C//1//2H//1//0 and coronene-C//2//4H//1//2. The results presented here show that the energy distributions of the parent molecular species, e. g. benzene, are narrower than those of atomic species, even though the ejection processes in both cases arise from energetic nuclear collisions. The bonding geometry also influences the ejection yield and angular distribution. The specific case of pi -bonded and sigma -bonded pyridine on a metal surface is discussed with comparisons between the calculated results and experimental data.

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Garrison BJ. PARTICLE BOMBARDMENT AS VIEWED BY MOLECULAR DYNAMICS. In Lyon PA, editor, ACS Symposium Series. ACS. 1985. p. 43-55. (ACS Symposium Series).